MMsINC Database Search


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MMsINC code: MMs03098648

Type: Neutral
Formula: C₁₉H₁₄O₃

SMILES:

O(C(=O)c1cc(ccc1)C)c1ccc2c(cccc2)c1C=O

InChI:

InChI=1/C19H14O3/c1-13-5-4-7-15(11-13)19(21)22-18-10-9-14-6-2-3-8-16(14)17(18)12-20/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.3779 kcal/mol

Physical Properties
Molecular Weight: 290.318 g/mol	logS: -5.85685	SlogP: 4.17992	Reactive groups: 1

Topological Properties
Globularity: 0.0746471	Sterimol/B1: 2.46053	Sterimol/B2: 3.58702	Sterimol/B3: 5.01245
Sterimol/B4: 5.78747	Sterimol/L: 16.6817

Surface and Volume Properties
Accessible surface: 521.343	Positive charged surface: 282.824	Negative charged surface: 228.679	Volume: 282
Hydrophobic surface: 455.096	Hydrophilic surface: 66.247

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.